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PUBCHEM-ZINC03651285

 MMsINC code: MMs03034106
Type: Neutral
Formula: C15H25N
SMILES:   NCc1c(cccc1CCCC)CCCC
InChI:   InChI=1/C15H25N/c1-3-5-8-13-10-7-11-14(9-6-4-2)15(13)12-16/h7,10-11H,3-6,8-9,12,16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.372 g/mol  logS: -5.08896  SlogP: 4.09684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0795041  Sterimol/B1: 2.3399  Sterimol/B2: 2.9093  Sterimol/B3: 4.13791
  Sterimol/B4: 6.8234  Sterimol/L: 15.416 
 
 Surface and Volume Properties
  Accessible surface: 499.22  Positive charged surface: 369.023  Negative charged surface: 130.197  Volume: 261.25
  Hydrophobic surface: 400.057  Hydrophilic surface: 99.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03034107
PUBCHEM-ZINC03651285